ChemSpider 2D Image | 1-[2-Methoxy-6-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-morpholinyl)-2-propanol | C20H30N4O5

1-[2-Methoxy-6-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-morpholinyl)-2-propanol

  • Molecular FormulaC20H30N4O5
  • Average mass406.476 Da
  • Monoisotopic mass406.221619 Da
  • ChemSpider ID22227103

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[2-Methoxy-6-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-morpholinyl)-2-propanol [ACD/IUPAC Name]
1-[2-Methoxy-6-({methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}methyl)phenoxy]-3-(4-morpholinyl)-2-propanol [German] [ACD/IUPAC Name]
1-[2-Méthoxy-6-({méthyl[(4-méthyl-1,2,5-oxadiazol-3-yl)méthyl]amino}méthyl)phénoxy]-3-(4-morpholinyl)-2-propanol [French] [ACD/IUPAC Name]
4-Morpholineethanol, α-[[2-methoxy-6-[[methyl[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 551.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.4±32.9 °C
Index of Refraction: 1.555
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.60
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.31
ACD/KOC (pH 7.4): 96.26
Polar Surface Area: 93 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 335.7±3.0 cm3

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